Basic information
- CAS
513-42-8- Standard SMILES
C=C(C)CO- InChIKey
BYDRTKVGBRTTIT-UHFFFAOYSA-N- Molecular formula
- C4H8O
- Average molar mass
- 72.11 g/mol
- Monoisotopic mass
- 72.05751488
Overview
Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.
Names & identifiers
- Preferred name
- Methallyl alcohol
- IUPAC
- 2-methylprop-2-en-1-ol
- English name
- Methallyl alcohol
- Molecular formula
- C4H8O
- Molecular weight
- 72.11
Names & synonyms
METHALLYL ALCOHOL513-42-82-Methylprop-2-en-1-ol2-Methylallyl alcoholIsopropenyl carbinol2-Propen-1-ol, 2-methyl-beta-Methallyl alcoholMethacryl alcohol3-Hydroxy-2-methylpropenebeta-Methylallyl alcohol2-Methyl-2-propenolH2T2UK4JAP
Show more names
β-Methallyl Alcoholmethacrylalcohol2-METHYL-2-PROPENE-1-OL'ISOBUTENOL'
NSC-30674DTXSID4060155RefChem:156850DTXCID7040998208-161-02-Methyl-2-propen-1-olMFCD00004737NSC 30674
Database identifiers
- CAS
513-42-8- PubChem CID
- 10557
- DTXSID
DTXSID4060155- UNII
- H2T2UK4JAP
- EC Number
- 208-161-0
- Nikkaji
- J3.640D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 38.9
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesCoriolis coupling
Density0.8515 at 68 °F (USCG, 1999) - Less dense than water; will float
Flash Point92 °F (USCG, 1999)
Boiling Point239 °F at 760 mmHg (USCG, 1999)
Physical Description
Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.
Colorless liquid with a sharp pungent odor; [CAMEO] Clear colorless liquid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- -50 °C · -50 °C
- Boiling point
- 113 · 113-115 °C(lit.)
- Density
- 0.857 g/mL · 0.857 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.426(lit.)
- Flash point
- 92 °F · 92 °F
- storage temp.
- Flammables area
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.49 · 14.49±0.10(Predicted)
- form
- clear liquid
- Specific Gravity
- 0.8515 · 0.8515
- color
- Colorless to Almost colorless
- Water Solubility
- 11 g/100 · 11 g/100 mL
- BRN
- 969226 · 969226
- Stability
- Light Sensitive
- InChI
- 1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
- InChIKey
- BYDRTKVGBRTTIT-UHFFFAOYSA-N
- SMILES
- CC(=C)CO
- CAS DataBase Reference
- 513 · 513-42-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 T2UK4JAP · H2T2UK4JAP
- NIST Chemistry Reference
- 2 · 2-Propen-1-ol, 2-methyl-(513-42-8)
- EPA Substance Registry System
- Methallyl alcohol (513-42-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36-37/39-16
- RIDADR
- 2614 · UN 2614
- WGK Germany
- 3 · 3
- RTECS
- 5250000 · UD5250000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29052900 · 29052900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.4% (4 of 91) of reports.
Warning
H226 (95.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 91 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Propen-1-ol, 2-methyl-
Status: Active Update: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20768
2-Methylallyl alcohol: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
A skin, eye, nose, and throat irritant; Moderately toxic by ingestion; [CAMEO] A moderate skin irritant; [RTECS] A skin, eye, nose, and throat irritant; Highly irritating to skin (may cause second degree burns following contact for a few minutes); [CHRIS] An irritant; [Aldrich MSDS]
DOT ID and Guide2614 129
Reactive GroupAlcohols and Polyols
Reactivity AlertsHighly Flammable
Reactivity ProfileMETHALLYL ALCOHOL may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas.
DOT Hazard Classification
Methallyl alcohol
UN2614
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Air and Water ReactionsHighly flammable and soluble in water.
Hazard Classes and Categories
Flam. Liq. 3 (95.6%)
Flammable agents - 3rd degree
Safety & protection
Fire FightingFire Extinguishing Agents Not to Be Used: Water.
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Get medical attention.
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (mouse) = 2,924 ppm/4hr
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UD5250000
- ridadr
- UN 2614
- hs_code
- 29052900
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesUsed in the chemical industry; [CAMEO]
General Manufacturing Information2-Propen-1-ol, 2-methyl-: ACTIVE
Applications
DescriptionMethallyl alcohol is a colorless liquid with a pungent odor. Molecular weight= 72.12;Boiling point=114℃; Flash point=33℃. Hazard Identification (based on NFPA-704 M Rating System): Health 2, Flammability 3, Reactivity 0. Slightly soluble in water.
Uses2-Methyl-2-propen-1-ol (MePro) attaches to hemicellulose acetylated galactoglucomannan (AcGGM) backbone providing it with pendant sites that allow subsequent cross-linking and hydrogel formation.
General DescriptionA colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
79 records
Compound notes
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